Anisil

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Also known as: 1226-42-2, P-anisil, Anisil, 1,2-bis(4-methoxyphenyl)ethane-1,2-dione, Ethanedione, bis(4-methoxyphenyl)-, Bis(4-methoxyphenyl)ethanedione

Molecular Formula

C₁₆H₁₄O₄

Molecular Weight

270.28 g/mol

InChI Key

YNANGXWUZWWFKX-UHFFFAOYSA-N

FDA UNII

98DR7869CR

1 2D Structure

CAS 1226-42-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,2-bis(4-methoxyphenyl)ethane-1,2-dione

2.1.2 InChI

InChI=1S/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3

2.1.3 InChI Key

YNANGXWUZWWFKX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OC

2.2 Other Identifiers

2.2.1 UNII

98DR7869CR

2.3 Synonyms

2.3.1 MeSH Synonyms

1. P,p'-dimethoxybenzil

2.3.2 Depositor-Supplied Synonyms

1. 1226-42-2

2. P-anisil

3. Anisil

4. 1,2-bis(4-methoxyphenyl)ethane-1,2-dione

5. Ethanedione, Bis(4-methoxyphenyl)-

6. Bis(4-methoxyphenyl)ethanedione

7. 1,2-ethanedione, 1,2-bis(4-methoxyphenyl)-

8. P,p'-dimethoxybenzil

9. Mfcd00008405

10. 1,2-bis(4-methoxyphenyl)-1,2-ethanedione

11. Nsc-19218

12. Bis(4-methoxyphenyl)ethane-1,2-dione

13. 1,2-bis(4-methoxyphenyl)-ethane-1,2-dione

14. Di-p-anisoyl

15. 4,4/'-dimethoxybenzil

16. Einecs 214-960-5

17. Nsc 19218

18. 4,4'-dimethoxybibenzoyl

19. 4,4\'-dimethoxybenzil

20. Ai3-51933

21. 4,4'-dimethoxydibenzoyl

22. 1,2-ethanedione,1,2-bis(4-methoxyphenyl)-

23. Benzil-based Compound, 21

24. Jmc505727 Compound 2

25. Schembl557152

26. 4,4'-dimethoxybenzil, 98%

27. Chembl191513

28. Dtxsid3061631

29. Bdbm22743

30. 98dr7869cr

31. Hms3749o05

32. Bcp26051

33. Nsc19218

34. Nsc602910

35. Stl444351

36. Akos000120033

37. Ccg-267155

38. Cs-7785

39. Nsc-602910

40. Bp-13430

41. Cs-12384

42. Sy048227

43. Db-041676

44. Hy-103610

45. A1028

46. Eu-0000057

47. Ns00023994

48. S5310

49. En300-16758

50. 1,2-bis(4-methoxyphenyl)-1,2-ethanedione #

51. F16181

52. Ae-641/01115007

53. Sr-01000388833

54. P-anisil;1,2-bis(4-methoxyphenyl)ethane-1,2-dione

55. Sr-01000388833-1

56. W-108428

57. Z56766549

58. Inchi=1/c16h14o4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10h,1-2h

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₄O₄
Molecular Weight	270.28 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	52.6
Heavy Atom Count	20
Formal Charge	0
Complexity	302
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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